3-methyl-5-(4-methylpiperazin-2-yl)-1,2,4-oxadiazole

C8H14N4O — CID 14742613

IUPAC3-methyl-5-(4-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2CN(C)CCN2)n1
InChIInChI=1S/C8H14N4O/c1-6-10-8(13-11-6)7-5-12(2)4-3-9-7/h7,9H,3-5H2,1-2H3
InChIKeyXOKOVVLYVCPSAP-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.05
Rot. Bonds1

About 3-methyl-5-(4-methylpiperazin-2-yl)-1,2,4-oxadiazole

3-methyl-5-(4-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 14742613) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-methyl-5-(4-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(4-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID14742613
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-methyl-5-(4-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2CN(C)CCN2)n1
InChIInChI=1S/C8H14N4O/c1-6-10-8(13-11-6)7-5-12(2)4-3-9-7/h7,9H,3-5H2,1-2H3
InChIKeyXOKOVVLYVCPSAP-UHFFFAOYSA-N
XLogP-0.05
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(4-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 14742613) is 3-methyl-5-(4-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(4-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(4-methylpiperazin-2-yl)-1,2,4-oxadiazole is Cc1noc(C2CN(C)CCN2)n1.
What is the InChIKey of 3-methyl-5-(4-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is XOKOVVLYVCPSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6-10-8(13-11-6)7-5-12(2)4-3-9-7/h7,9H,3-5H2,1-2H3.
What are the key properties of 3-methyl-5-(4-methylpiperazin-2-yl)-1,2,4-oxadiazole?
3-methyl-5-(4-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 182.23 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14742613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).